N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

C16H29N3O — CID 116778844

IUPACN-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOC(CC)(CC)c1ncc(CNCC(C)C)cn1
InChIInChI=1S/C16H29N3O/c1-6-16(7-2,20-8-3)15-18-11-14(12-19-15)10-17-9-13(4)5/h11-13,17H,6-10H2,1-5H3
InChIKeyDKMOCIZIWQNAQZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.27
Rot. Bonds9

About N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 116778844) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID116778844
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOC(CC)(CC)c1ncc(CNCC(C)C)cn1
InChIInChI=1S/C16H29N3O/c1-6-16(7-2,20-8-3)15-18-11-14(12-19-15)10-17-9-13(4)5/h11-13,17H,6-10H2,1-5H3
InChIKeyDKMOCIZIWQNAQZ-UHFFFAOYSA-N
XLogP3.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 64533832
N-[[5-chloro-6-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292007
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
2-methyl-N-[[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65137560
2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 113388029
N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62758071
2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
CID 62292568
N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116778841
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639461
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (CID 116778844) is N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is CCOC(CC)(CC)c1ncc(CNCC(C)C)cn1.
What is the InChIKey of N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is DKMOCIZIWQNAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-16(7-2,20-8-3)15-18-11-14(12-19-15)10-17-9-13(4)5/h11-13,17H,6-10H2,1-5H3.
What are the key properties of N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 116778844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).